Protoveratrine A
AlkaPlorer ID: AK016065
Synonym: '', 'Protoveratrine A'
IUPAC Name: [(12R,13S,14S,19S,23S,25R)-16,17-diacetyloxy-10,12,14,23-tetrahydroxy-6,10,19-trimethyl-13-(2-methylbutanoyloxy)-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] 2-hydroxy-2-methylbutanoate
Structure
SMILES: CCC(C)C(=O)O[C@H]1[C@H](O)C2C(CN3CC(C)CCC3C2(C)O)C2C[C@]34O[C@]5(O)C(OC(=O)C(C)(O)CC)CC[C@@]3(C)C5C(OC(C)=O)C(OC(C)=O)C4[C@@]21O
InChI: InChI=1S/C41H63NO14/c1-10-20(4)34(46)55-33-28(45)27-23(18-42-17-19(3)12-13-25(42)38(27,9)49)24-16-39-32(40(24,33)50)30(53-22(6)44)29(52-21(5)43)31-36(39,7)15-14-26(41(31,51)56-39)54-35(47)37(8,48)11-2/h19-20,23-33,45,48-51H,10-18H2,1-9H3/t19?,20?,23?,24?,25?,26?,27?,28-,29?,30?,31?,32?,33+,36+,37?,38?,39-,40+,41-/m1/s1
InChIKey: HYTGGNIMZXFORS-ISIRUOLJSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Strychnos nux-vomica | Strychnos | Loganiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Veratrum album | Veratrum | Melanthiaceae | Liliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 793.9480000000001
TPSA？: 218.82
MolLogP？: 1.6072000000000026
Number of H-Donors: 5
Number of H-Acceptors: 15
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|